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Volumn 194-197, Issue , 2002, Pages 169-183
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Global optimization for clusters of flexible molecules - Solvent-solute interaction energy calculations
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Author keywords
Clusters; Global optimization; Interaction energies; Method of calculation; Model; OPLS force field
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Indexed keywords
ALGORITHMS;
CONVERGENCE OF NUMERICAL METHODS;
GLOBAL OPTIMIZATION;
MOLECULAR DYNAMICS;
PHASE EQUILIBRIA;
POTENTIAL ENERGY;
SOLUTIONS;
MOLECULAR CLUSTERS;
SOLVENTS;
BUTANE;
ETHYLAMINE;
SOLVENT;
ENERGY;
MOLECULE;
SOLVENT;
ALGORITHM;
ATOM;
CALCULATION;
CLUSTER ANALYSIS;
CONFERENCE PAPER;
EQUILIBRIUM CONSTANT;
MOLECULAR INTERACTION;
SOLUTE;
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EID: 0037196792
PISSN: 03783812
EISSN: None
Source Type: Journal
DOI: 10.1016/S0378-3812(01)00780-4 Document Type: Conference Paper |
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Times cited : (11)
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References (20)
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